Cadmium in PDB 1y66: Dioxane Contributes to the Altered Conformation and Oligomerization State of A Designed Engrailed Homeodomain Variant

The structure of Dioxane Contributes to the Altered Conformation and Oligomerization State of A Designed Engrailed Homeodomain Variant, PDB code: 1y66 was solved by G.K.Hom, J.K.Lassila, L.M.Thomas, S.L.Mayo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.30 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.712, 52.646, 82.182, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 22.8

The binding sites of Cadmium atom in the Dioxane Contributes to the Altered Conformation and Oligomerization State of A Designed Engrailed Homeodomain Variant (pdb code 1y66). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the Dioxane Contributes to the Altered Conformation and Oligomerization State of A Designed Engrailed Homeodomain Variant, PDB code: 1y66:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the Dioxane Contributes to the Altered Conformation and Oligomerization State of A Designed Engrailed Homeodomain Variant


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Dioxane Contributes to the Altered Conformation and Oligomerization State of A Designed Engrailed Homeodomain Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd171 b:15.8 occ:1.00 OE2 A:GLU29 2.3 18.4 1.0 OE2 B:GLU29 2.3 20.7 1.0 OE1 B:GLU29 2.5 21.8 1.0 OE1 A:GLU29 2.8 17.7 1.0 CD B:GLU29 2.8 18.8 1.0 CD A:GLU29 2.9 15.4 1.0 NZ A:LYS33 4.2 24.2 1.0 CG B:GLU29 4.3 15.2 1.0 O A:HOH180 4.3 45.3 1.0 CG A:GLU29 4.3 15.8 1.0 O B:HOH218 4.5 34.4 1.0 O B:HOH208 4.6 37.5 1.0 NZ B:LYS33 4.7 29.4 1.0 O B:HOH210 4.7 32.5 1.0 O A:HOH175 4.8 19.6 1.0 CE A:LYS33 4.9 19.1 1.0 O A:HOH173 5.0 26.0 1.0

Cadmium binding site 2 out of 2 in the Dioxane Contributes to the Altered Conformation and Oligomerization State of A Designed Engrailed Homeodomain Variant


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Dioxane Contributes to the Altered Conformation and Oligomerization State of A Designed Engrailed Homeodomain Variant within 5.0Å range: probe atom residue distance (Å) B Occ C:Cd172 b:18.2 occ:1.00 OE2 D:GLU29 2.2 19.6 1.0 OE1 C:GLU29 2.2 21.6 1.0 O D:ACY191 2.4 32.1 1.0 OXT D:ACY191 2.5 34.8 1.0 OE2 C:GLU29 2.7 25.4 1.0 OE1 D:GLU29 2.8 17.6 1.0 CD C:GLU29 2.8 24.1 1.0 C D:ACY191 2.8 33.3 1.0 CD D:GLU29 2.8 16.6 1.0 NZ C:LYS33 4.2 23.8 1.0 O D:HOH201 4.2 31.1 1.0 NZ D:LYS33 4.3 20.6 1.0 CG C:GLU29 4.3 21.4 1.0 CG D:GLU29 4.3 17.0 1.0 CH3 D:ACY191 4.3 32.6 1.0 O C:HOH235 4.4 34.7 1.0 O C:HOH194 4.5 30.4 1.0 O C:HOH207 4.6 39.0 1.0 O D:HOH202 4.6 26.3 1.0

G.K.Hom, J.K.Lassila, L.M.Thomas, S.L.Mayo. Dioxane Contributes to the Altered Conformation and Oligomerization State of A Designed Engrailed Homeodomain Variant. Protein Sci. V. 14 1115 2005.
ISSN: ISSN 0961-8368
PubMed: 15741348
DOI: 10.1110/PS.041277305